5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine

C9H17N3S — CID 140976461

IUPAC5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine
SMILESCN1CCN(C=C2CNCS2)CC1
InChIInChI=1S/C9H17N3S/c1-11-2-4-12(5-3-11)7-9-6-10-8-13-9/h7,10H,2-6,8H2,1H3
InChIKeyIIXKASVZRDBKTJ-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.37
Rot. Bonds1

About 5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine

5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine (PubChem CID 140976461) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine
PubChem CID140976461
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine
SMILESCN1CCN(C=C2CNCS2)CC1
InChIInChI=1S/C9H17N3S/c1-11-2-4-12(5-3-11)7-9-6-10-8-13-9/h7,10H,2-6,8H2,1H3
InChIKeyIIXKASVZRDBKTJ-UHFFFAOYSA-N
XLogP0.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine (CID 140976461) is 5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine is CN1CCN(C=C2CNCS2)CC1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine?
The InChIKey is IIXKASVZRDBKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-11-2-4-12(5-3-11)7-9-6-10-8-13-9/h7,10H,2-6,8H2,1H3.
What are the key properties of 5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine?
5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine has a molecular weight of 199.32 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine is sourced from PubChem (CID 140976461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).